Ab initio modeling of surface structure for SrTiO 3 perovskite crystals E Heifets, RI Eglitis, EA Kotomin, J Maier, G Borstel Physical Review B 64 (23), 235417, 2001 | 327 | 2001 |
Radiation-induced point defects in simple oxides EA Kotomin, AI Popov Nuclear Instruments and Methods in Physics Research Section B: Beam …, 1998 | 320 | 1998 |
Kinetics of bimolecular reactions in condensed media: critical phenomena and microscopic self-organisation V Kuzovkov, E Kotomin Reports on Progress in Physics 51 (12), 1479, 1988 | 318 | 1988 |
Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells MM Kuklja, EA Kotomin, R Merkle, YA Mastrikov, J Maier Physical chemistry chemical physics 15 (15), 5443-5471, 2013 | 282 | 2013 |
Radiation effects in solids AF Voter, KE Sickafus, EA Kotomin, BP Uberuaga NATO Science Series (Springer, Berlin, 2007) 1, 2007 | 279 | 2007 |
Evidence for interfacial-storage anomaly in nanocomposites for lithium batteries from first-principles simulations YF Zhukovskii, P Balaya, EA Kotomin, J Maier Physical review letters 96 (5), 058302, 2006 | 240 | 2006 |
Hybrid DFT calculations of the atomic and electronic structure for ABO3 perovskite (0 0 1) surfaces S Piskunov, EA Kotomin, E Heifets, J Maier, RI Eglitis, G Borstel Surface Science 575 (1-2), 75-88, 2005 | 223 | 2005 |
Nano-ionics in the context of lithium batteries P Balaya, AJ Bhattacharyya, J Jamnik, YF Zhukovskii, EA Kotomin, ... Journal of Power Sources 159 (1), 171-178, 2006 | 216 | 2006 |
Pathways for Oxygen Incorporation in Mixed Conducting Perovskites: A DFT-Based Mechanistic Analysis for (La, Sr)MnO3−δ YA Mastrikov, R Merkle, E Heifets, EA Kotomin, J Maier The Journal of Physical Chemistry C 114 (7), 3017-3027, 2010 | 206 | 2010 |
Modern aspects of diffusion-controlled reactions: Cooperative phenomena in bimolecular processes E Kotomin, V Kuzovkov Elsevier, 1996 | 206 | 1996 |
First-principles calculations of the atomic and electronic structure of centers in the bulk and on the (001) surface of J Carrasco, F Illas, N Lopez, EA Kotomin, YF Zhukovskii, RA Evarestov, ... Physical Review B 73 (6), 064106, 2006 | 202 | 2006 |
Basic properties of the F-type centers in halides, oxides and perovskites AI Popov, EA Kotomin, J Maier Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2010 | 200 | 2010 |
Jahn-Teller distortion around Fe 4+ in Sr (Fe x Ti 1− x) O 3− δ from X-ray absorption spectroscopy, X-ray diffraction, and vibrational spectroscopy M Vračar, A Kuzmin, R Merkle, J Purans, EA Kotomin, J Maier, O Mathon Physical Review B 76 (17), 174107, 2007 | 164 | 2007 |
First-principles calculations for SrTiO3 (100) surface structure E Heifets, RI Eglitis, EA Kotomin, J Maier, G Borstel Surface science 513 (1), 211-220, 2002 | 153 | 2002 |
Calculations of the effective diffusion coefficient for inhomogeneous media JR Kalnin, EA Kotomin, J Maier Journal of physics and chemistry of solids 63 (3), 449-456, 2002 | 149 | 2002 |
Semi-empirical simulations of surface relaxation for perovskite titanates E Heifets, EA Kotomin, J Maier Surface science 462 (1-3), 19-35, 2000 | 148 | 2000 |
Adsorption of atomic and molecular oxygen on the LaMnO 3 (001) surface: ab initio supercell calculations and thermodynamics EA Kotomin, YA Mastrikov, E Heifets, J Maier Physical Chemistry Chemical Physics 10 (31), 4644-4649, 2008 | 146 | 2008 |
Calculations of the ground and excited states of F-type centers in corundum crystals A Stashans, E Kotomin, JL Calais Physical Review B 49 (21), 14854, 1994 | 143 | 1994 |
Formation and migration of oxygen vacancies in La 1− x Sr x Co 1− y Fe y O 3− δ perovskites: insight from ab initio calculations and comparison with Ba 1− x Sr x Co 1− y Fe y O … YA Mastrikov, R Merkle, EA Kotomin, MM Kuklja, J Maier Physical chemistry chemical physics 15 (3), 911-918, 2013 | 135 | 2013 |
Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces YA Mastrikov, E Heifets, EA Kotomin, J Maier Surface Science 603 (2), 326-335, 2009 | 126 | 2009 |